Elementary isotope effects - Sensitivity to potential energy shape

Chemical Physics Letters

Volumn 635, Issue , 2015, Pages 196-200

  Buchowiecki, Marcin ^a  

^a UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER MOBILITY; HARMONIC ANALYSIS; INVERSE PROBLEMS; ISOTOPES; MOLECULAR PHYSICS; MONTE CARLO METHODS; POTENTIAL ENERGY; QUANTUM THEORY;

ANGULAR FREQUENCIES; HARMONIC APPROXIMATION; INVERSE TEMPERATURES; PARTITION FUNCTIONS; PATH INTEGRAL MONTE CARLO METHODS; POTENTIAL ENERGY CURVES; POTENTIAL FUNCTION; THERMODYNAMIC INTEGRATION;

MORSE POTENTIAL;

EID: 84937611405     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2015.06.067     Document Type: Article

References (28)

1. M. Wolfsberg, W. Alexander van Hook, P. Paneth, and L.P.N. Rebelo Isotope Effects in the Chemical, Geological, and Bio Sciences 2010 Springer Dordrecht/Heidelberg/London/New York
2. T. Zimmermann, and J. Vaníček J. Chem. Phys. 131 2009 024111
3. A. Azuri, H. Engel, D. Doron, and D.T. Major J. Chem. Theory Comput. 7 2011 1273
4. K.-Y. Wong, and J. Gao J. Chem. Phys. 127 2007 211103
5. M.A. Webb, and T.F. Miller III J. Phys. Chem. A 118 2014 467
6. M. Buchowiecki, and J. Vaníček Chem. Phys. Lett. 588 2013 11
7. P.M. Morse Phys. Rev. 34 1929 57
8. W. Hua Phys. Rev. A 42 1990 2524
9. R.R. Lucchese, C.K. Rosales, L.-A. Rivera-Rivera, B.A. McElmurry, J.W. Bevan, and J.R. Walton J. Phys. Chem. A 118 2014 6287
10. A.T. Royappa, V. Suri, and J.R. McDonough J. Mol. Struct. 787 2006 209
11. L. Bytautas, and K. Ruedenberg J. Chem. Phys. 130 2009 204101
12. B. Csontos, B. Nagy, J. Csontos, and M. Kállay J. Phys. Chem. A 117 2013 5518
13. D.C. Clary, and J.N.L. Connor J. Phys. Chem. 88 1984 2758
14. L. Sobczyk, M. Obrzud, and A. Filarowski Molecules 18 2013 4467
15. E. Gonzalez-Lavado, J.C. Corchado, Y.V. Suleimanov, W.H. Green, and J. Espinosa-Garcia J. Phys. Chem. A 118 2014 3243
16. E.A. Halevi New J. Chem. 38 2014 3840
17. C.L. Perrin New J. Chem. 39 2015 1517
18. E.A. Halevi New J. Chem. 39 2014 1522
19. P.B. Wilson, and I.H. Williams Mol. Phys. 2015 10.1080/00268976.2015.1007106
20. P.W. Atkins Physical Chemistry 5th edn. 1994 Oxford University Press New York
21. D. Frenkel, and B. Smit Understanding Molecular Simulation 2002 Academic Press
22. D.M. Ceperley Rev. Mod. Phys. 67 1995 279
23. M. Takahashi, and M. Imada J. Phys. Soc. Jpn. 53 1984 3765
24. C. Predescu Phys. Rev. E 70 2004 066705
25. H.F. Trotter Proc. Am. Math. Soc. 10 1959 545
26. A. Das Field Theory: A Path Integral Approach 2006 World Scientific
27. K.-Y. Wong, Y. Xu, and D.M. York J. Comput. Chem. 35 2014 1302
28. L.J. Schaad, L. Bytautas, and K.N. Houk Can. J. Chem. 77 1999 875